SCHEMBL3322305

SCHEMBL3322305

C=CCCCC[C@H](Cl)B(O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
ABCC4 O15439 1/20 0.34
ALDH1A1 P00352 4/20 0.33
USP2 O75604 2/20 0.33
TRPA1 O75762 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR3 Q9UBY5 2/20 0.31
LMNA P02545 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4737247 1.00 TSHR (0.34) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL4737080 0.98 TSHR (0.38) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3324577 0.98 TSHR (0.38) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL4785238 0.74 NOS2 (0.44) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL9353790 0.74
SCHEMBL9255164 0.73 TSHR (0.42) TSHRMAPTABCC4ALDH1A1USP2
Hydrochloric Acid SCHEMBL3322822 0.72 NOS2 (0.42) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL30040268 0.72 TSHR (0.46) TSHRMAPTABCC4ALDH1A1USP2
Hydrochloric Acid SCHEMBL3321961 0.71 NOS2 (0.41) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL11063317 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PEPD TSHR 3944/4885MAPT 3678/4885ABCC4 3054/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.